Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4s1i_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A OG1 ASP 75.A OD2 no hydrogen 3.375 N/A ASN 3.A ND2 LEU 72.A O no hydrogen 2.984 N/A LYS 4.A N GLN 32.A O no hydrogen 2.766 N/A VAL 5.A N GLN 32.A O no hydrogen 3.216 N/A LEU 6.A N PHE 78.A O no hydrogen 3.019 N/A THR 7.A N ILE 34.A O no hydrogen 2.913 N/A THR 7.A OG1 ASN 19.A OD1 no hydrogen 2.603 N/A THR 7.A OG1 TYR 217.A OH no hydrogen 2.733 N/A ILE 8.A N VAL 80.A O no hydrogen 2.891 N/A SER 9.A N VAL 36.A O no hydrogen 3.320 N/A TYR 11.A N THR 39.A OG1 no hydrogen 2.901 N/A CYS 13.A N LEU 41.A O no hydrogen 2.840 N/A CYS 13.A SG HIS 40.A NE2 no hydrogen 3.500 N/A CYS 13.A SG LEU 41.A O no hydrogen 3.345 N/A SER 14.A N ALA 42.A O no hydrogen 3.029 N/A GLY 18.A N ASP 213.A OD2 no hydrogen 2.878 N/A ASN 19.A N SER 10.A O no hydrogen 2.690 N/A ASN 19.A ND2 THR 7.A O no hydrogen 3.073 N/A ARG 20.A N VAL 17.A O no hydrogen 3.076 N/A CYS 21.A N VAL 17.A O no hydrogen 3.487 N/A GLY 22.A N GLY 18.A O no hydrogen 3.070 N/A MET 23.A N ASN 19.A O no hydrogen 2.788 N/A ILE 24.A N ARG 20.A O no hydrogen 3.226 N/A ILE 25.A N CYS 21.A O no hydrogen 3.015 N/A LEU 26.A N GLY 22.A O no hydrogen 2.805 N/A ASP 27.A N MET 23.A O no hydrogen 2.896 N/A SER 28.A N ILE 24.A O no hydrogen 3.054 N/A PHE 29.A N ILE 25.A O no hydrogen 2.923 N/A GLN 30.A N ASP 27.A O no hydrogen 2.859 N/A ILE 31.A N LEU 26.A O no hydrogen 3.019 N/A GLN 32.A NE2 ASN 3.A OD1 no hydrogen 3.249 N/A SER 33.A OG ILE 31.A O no hydrogen 2.959 N/A ILE 34.A N VAL 5.A O no hydrogen 2.747 N/A VAL 36.A N THR 7.A O no hydrogen 2.983 N/A THR 38.A N SER 9.A O no hydrogen 2.888 N/A THR 38.A OG1 TYR 83.A O no hydrogen 2.729 N/A THR 39.A OG1 TYR 11.A O no hydrogen 2.869 N/A HIS 40.A N SER 53.A O no hydrogen 2.951 N/A LEU 41.A N TYR 11.A O no hydrogen 3.067 N/A ALA 42.A N GLY 51.A O no hydrogen 2.870 N/A ASN 43.A ND2 HIS 44.A O no hydrogen 3.088 N/A ASN 43.A ND2 VAL 49.A O no hydrogen 3.212 N/A HIS 44.A NE2 GLU 252.A OE2 no hydrogen 2.763 N/A GLY 46.A N HIS 44.A ND1 no hydrogen 2.991 N/A TYR 47.A N HIS 44.A O no hydrogen 3.526 N/A SER 53.A N HIS 40.A O no hydrogen 3.317 N/A VAL 55.A N THR 38.A O no hydrogen 2.932 N/A PHE 60.A N LEU 56.A O no hydrogen 2.872 N/A ILE 61.A N LEU 57.A O no hydrogen 2.880 N/A SER 62.A N ASN 58.A O no hydrogen 3.025 N/A ILE 63.A N ASP 59.A O no hydrogen 2.892 N/A MET 64.A N PHE 60.A O no hydrogen 2.887 N/A ASP 65.A N ILE 61.A O no hydrogen 2.865 N/A SER 66.A N SER 62.A O no hydrogen 2.969 N/A LEU 67.A N ILE 63.A O no hydrogen 2.953 N/A GLU 68.A N MET 64.A O no hydrogen 3.119 N/A VAL 69.A N ASP 65.A O no hydrogen 2.953 N/A ASN 70.A N SER 66.A O no hydrogen 3.041 N/A HIS 71.A N GLU 68.A O no hydrogen 3.087 N/A LEU 72.A N LEU 67.A O no hydrogen 2.924 N/A LYS 74.A N HIS 71.A O no hydrogen 3.484 N/A ILE 76.A N ASP 73.A O no hydrogen 3.358 N/A GLU 77.A N LYS 4.A O no hydrogen 2.825 N/A PHE 78.A N LYS 4.A O no hydrogen 3.103 N/A LEU 79.A N TYR 107.A O no hydrogen 2.901 N/A VAL 80.A N LEU 6.A O no hydrogen 2.936 N/A THR 81.A N LEU 109.A O no hydrogen 3.257 N/A GLY 82.A N ILE 8.A O no hydrogen 2.935 N/A TYR 83.A N SER 9.A OG no hydrogen 2.932 N/A SER 86.A OG ASP 88.A OD1 no hydrogen 2.564 N/A SER 87.A N GLU 125.A OE2 no hydrogen 2.943 N/A TYR 91.A N SER 87.A O no hydrogen 3.010 N/A GLU 92.A N ASP 88.A O no hydrogen 3.018 N/A THR 93.A N LEU 89.A O no hydrogen 2.845 N/A THR 93.A OG1 LEU 89.A O no hydrogen 2.777 N/A ILE 94.A N VAL 90.A O no hydrogen 2.972 N/A ASN 95.A N TYR 91.A O no hydrogen 3.253 N/A ASN 95.A ND2 GLU 92.A OE1 no hydrogen 3.102 N/A ARG 96.A N GLU 92.A O no hydrogen 3.079 N/A ARG 96.A NE GLU 92.A OE2 no hydrogen 2.801 N/A ARG 96.A NH1 ASP 65.A OD1 no hydrogen 2.855 N/A ARG 96.A NH2 ASP 65.A OD1 no hydrogen 2.770 N/A ARG 96.A NH2 GLU 92.A OE2 no hydrogen 3.080 N/A VAL 97.A N THR 93.A O no hydrogen 2.728 N/A LYS 98.A N ILE 94.A O no hydrogen 2.894 N/A ARG 99.A N ASN 95.A O no hydrogen 3.181 N/A ILE 100.A N ARG 96.A O no hydrogen 2.885 N/A LYS 101.A N VAL 97.A O no hydrogen 2.868 N/A LYS 101.A NZ VAL 106.A O no hydrogen 2.878 N/A LYS 101.A NZ ASP 138.A OD2 no hydrogen 2.760 N/A ASP 102.A N LYS 98.A O no hydrogen 2.962 N/A LYS 104.A N ILE 100.A O no hydrogen 3.138 N/A LYS 104.A NZ ASP 73.A O no hydrogen 3.077 N/A LYS 104.A NZ LYS 74.A O no hydrogen 3.552 N/A TYR 107.A N GLU 77.A O no hydrogen 2.950 N/A PHE 108.A N ASP 138.A OD2 no hydrogen 2.830 N/A LEU 109.A N LEU 79.A O no hydrogen 2.860 N/A CYS 110.A N ILE 139.A O no hydrogen 3.002 N/A CYS 110.A SG THR 81.A OG1 no hydrogen 3.672 N/A ASP 111.A N THR 81.A O no hydrogen 2.990 N/A LEU 114.A N GLU 146.A OE2 no hydrogen 2.859 N/A GLY 115.A N GLU 146.A OE2 no hydrogen 3.228 N/A ASP 116.A N LYS 119.A O no hydrogen 3.028 N/A ASN 117.A N ASP 116.A OD1 no hydrogen 2.719 N/A GLY 118.A N THR 145.A OG1 no hydrogen 2.834 N/A LYS 119.A N ASP 116.A O no hydrogen 3.051 N/A TYR 121.A N LEU 114.A O no hydrogen 2.828 N/A THR 122.A OG1 LEU 114.A O no hydrogen 2.966 N/A VAL 126.A N LYS 123.A O no hydrogen 3.031 N/A GLN 127.A N LYS 123.A O no hydrogen 3.069 N/A GLN 127.A NE2 THR 122.A O no hydrogen 3.079 N/A ASP 128.A N SER 124.A O no hydrogen 3.051 N/A SER 129.A N GLU 125.A O no hydrogen 3.058 N/A SER 129.A OG GLU 125.A O no hydrogen 3.476 N/A SER 129.A OG VAL 126.A O no hydrogen 2.840 N/A MET 130.A N VAL 126.A O no hydrogen 2.844 N/A MET 130.A N GLN 127.A O no hydrogen 3.247 N/A LYS 131.A N ASP 128.A O no hydrogen 3.223 N/A GLU 132.A N SER 129.A O no hydrogen 3.001 N/A LEU 133.A N SER 129.A O no hydrogen 3.073 N/A ILE 134.A N MET 130.A O no hydrogen 3.098 N/A LYS 135.A N GLU 132.A O no hydrogen 3.065 N/A LYS 135.A NZ GLU 132.A OE1 no hydrogen 3.389 N/A LYS 135.A NZ GLU 132.A OE2 no hydrogen 3.084 N/A TYR 136.A N LEU 133.A O no hydrogen 3.076 N/A ALA 137.A N ILE 134.A O no hydrogen 3.219 N/A ASP 138.A N PHE 108.A O no hydrogen 2.832 N/A ILE 139.A N PHE 108.A O no hydrogen 3.149 N/A ILE 140.A N VAL 175.A O no hydrogen 3.015 N/A THR 141.A N CYS 110.A O no hydrogen 3.164 N/A ASN 143.A N GLU 146.A OE1 no hydrogen 2.936 N/A ASN 143.A ND2 GLY 115.A O no hydrogen 2.859 N/A GLU 146.A N ASN 143.A OD1 no hydrogen 2.804 N/A LEU 147.A N ASN 143.A O no hydrogen 2.839 N/A SER 148.A N ALA 144.A O no hydrogen 2.962 N/A SER 148.A OG LEU 153.A O no hydrogen 2.526 N/A PHE 149.A N THR 145.A O no hydrogen 3.050 N/A LEU 150.A N GLU 146.A O no hydrogen 2.963 N/A THR 151.A N LEU 147.A O no hydrogen 3.110 N/A THR 151.A OG1 LEU 147.A O no hydrogen 2.820 N/A LEU 153.A N THR 151.A OG1 no hydrogen 3.291 N/A ASN 156.A N GLU 160.A OE1 no hydrogen 2.729 N/A ASN 156.A ND2 GLU 154.A OE1 no hydrogen 3.164 N/A SER 157.A OG SER 159.A OG no hydrogen 3.402 N/A SER 159.A OG SER 157.A OG no hydrogen 3.402 N/A GLU 160.A N SER 157.A OG no hydrogen 3.114 N/A ALA 161.A N SER 157.A O no hydrogen 2.923 N/A ILE 162.A N VAL 158.A O no hydrogen 2.791 N/A LYS 163.A N SER 159.A O no hydrogen 3.177 N/A ALA 164.A N GLU 160.A O no hydrogen 2.915 N/A CYS 165.A N ALA 161.A O no hydrogen 2.850 N/A CYS 165.A SG ALA 161.A O no hydrogen 3.363 N/A HIS 166.A N ILE 162.A O no hydrogen 3.000 N/A ILE 167.A N LYS 163.A O no hydrogen 3.138 N/A LEU 168.A N ALA 164.A O no hydrogen 3.367 N/A HIS 169.A N CYS 165.A O no hydrogen 2.680 N/A HIS 169.A ND1 ILE 173.A O no hydrogen 2.709 N/A HIS 169.A NE2 SER 187.A OG no hydrogen 2.731 N/A GLU 170.A N HIS 166.A O no hydrogen 2.813 N/A GLN 171.A N LEU 168.A O no hydrogen 3.040 N/A GLN 171.A NE2 ILE 167.A O no hydrogen 2.818 N/A GLY 172.A N HIS 169.A O no hydrogen 2.835 N/A ILE 173.A N LEU 168.A O no hydrogen 3.102 N/A ILE 176.A N SER 187.A O no hydrogen 2.900 N/A LEU 177.A N ILE 140.A O no hydrogen 2.890 N/A VAL 178.A N LEU 185.A O no hydrogen 2.734 N/A THR 179.A N PRO 142.A O no hydrogen 2.983 N/A THR 179.A OG1 PRO 142.A O no hydrogen 3.473 N/A ILE 181.A N ILE 183.A O no hydrogen 2.813 N/A ILE 183.A N ILE 181.A O no hydrogen 2.858 N/A LEU 184.A N ILE 199.A O no hydrogen 2.932 N/A LEU 185.A N VAL 178.A O no hydrogen 3.006 N/A CYS 186.A N PHE 197.A O no hydrogen 2.827 N/A SER 187.A N ILE 176.A O no hydrogen 2.815 N/A SER 187.A OG HIS 169.A NE2 no hydrogen 2.731 N/A PHE 188.A N ASN 196.A OD1 no hydrogen 2.794 N/A LYS 189.A N PRO 174.A O no hydrogen 2.847 N/A LYS 189.A NZ HIS 169.A O no hydrogen 3.013 N/A LEU 192.A N ASP 190.A OD1 no hydrogen 3.214 N/A ASN 193.A ND2 ASP 190.A OD1 no hydrogen 3.494 N/A ASN 193.A ND2 ASP 190.A OD2 no hydrogen 2.748 N/A ASN 194.A ND2 ASP 190.A O no hydrogen 2.877 N/A PHE 197.A N CYS 186.A O no hydrogen 3.042 N/A THR 198.A N THR 271.A O no hydrogen 2.850 N/A ILE 199.A N LEU 184.A O no hydrogen 2.875 N/A ILE 201.A N ILE 182.A O no hydrogen 2.934 N/A THR 209.A N ASP 207.A OD1 no hydrogen 2.876 N/A THR 209.A OG1 ASP 207.A OD1 no hydrogen 2.794 N/A VAL 211.A N PHE 208.A O no hydrogen 2.955 N/A THR 214.A N GLY 210.A O no hydrogen 2.921 N/A THR 214.A OG1 GLY 210.A O no hydrogen 2.758 N/A LEU 215.A N VAL 211.A O no hydrogen 3.028 N/A THR 216.A N GLY 212.A O no hydrogen 3.041 N/A THR 216.A OG1 ASP 111.A OD2 no hydrogen 2.822 N/A THR 216.A OG1 GLY 212.A O no hydrogen 3.153 N/A TYR 217.A N ASP 213.A O no hydrogen 3.143 N/A TYR 217.A OH THR 7.A OG1 no hydrogen 2.733 N/A ILE 218.A N THR 214.A O no hydrogen 3.034 N/A LEU 219.A N LEU 215.A O no hydrogen 2.861 N/A LEU 220.A N THR 216.A O no hydrogen 2.933 N/A SER 221.A N TYR 217.A O no hydrogen 2.929 N/A SER 221.A OG TYR 217.A O no hydrogen 2.857 N/A TRP 222.A N ILE 218.A O no hydrogen 3.044 N/A ILE 223.A N LEU 219.A O no hydrogen 2.946 N/A ILE 224.A N LEU 220.A O no hydrogen 2.826 N/A LYS 225.A N SER 221.A O no hydrogen 2.948 N/A LYS 225.A NZ PHE 29.A O no hydrogen 2.880 N/A GLY 226.A N ILE 223.A O no hydrogen 2.956 N/A ILE 227.A N TRP 222.A O no hydrogen 3.003 N/A HIS 231.A ND1 GLU 266.A OE1 no hydrogen 2.730 N/A ALA 232.A N PRO 228.A O no hydrogen 2.939 N/A VAL 233.A N LEU 229.A O no hydrogen 2.858 N/A ASN 234.A N GLU 230.A O no hydrogen 3.089 N/A ASN 234.A ND2 PHE 268.A O no hydrogen 2.873 N/A ARG 235.A N HIS 231.A O no hydrogen 2.869 N/A ARG 235.A NE GLU 266.A OE2 no hydrogen 3.089 N/A ALA 236.A N ALA 232.A O no hydrogen 3.052 N/A ILE 237.A N VAL 233.A O no hydrogen 2.851 N/A SER 238.A N ASN 234.A O no hydrogen 2.816 N/A SER 238.A OG ASN 234.A O no hydrogen 2.776 N/A SER 238.A OG ASN 234.A OD1 no hydrogen 3.254 N/A THR 239.A N ARG 235.A O no hydrogen 2.824 N/A THR 239.A OG1 ARG 235.A O no hydrogen 3.137 N/A LEU 240.A N ALA 236.A O no hydrogen 2.977 N/A GLN 241.A N ILE 237.A O no hydrogen 2.940 N/A GLN 241.A NE2 PRO 202.A O no hydrogen 3.545 N/A THR 242.A N SER 238.A O no hydrogen 3.012 N/A THR 242.A OG1 SER 238.A O no hydrogen 3.129 N/A ILE 243.A N THR 239.A O no hydrogen 2.928 N/A LEU 244.A N LEU 240.A O no hydrogen 2.845 N/A ARG 245.A N GLN 241.A O no hydrogen 2.889 N/A ASN 246.A N THR 242.A O no hydrogen 3.241 N/A ASN 246.A N ILE 243.A O no hydrogen 3.149 N/A ASN 246.A ND2 THR 242.A O no hydrogen 2.811 N/A THR 247.A N LEU 244.A O no hydrogen 3.042 N/A THR 247.A OG1 ILE 243.A O no hydrogen 2.708 N/A ALA 251.A N VAL 248.A O no hydrogen 3.181 N/A ASN 257.A N ASN 254.A OD1 no hydrogen 2.948 N/A LEU 261.A N ILE 258.A O no hydrogen 3.034 N/A GLY 263.A N TYR 260.A O no hydrogen 2.981 N/A SER 267.A N SER 238.A OG no hydrogen 2.762 N/A SER 267.A OG SER 238.A OG no hydrogen 3.335 N/A PHE 268.A N ASN 234.A OD1 no hydrogen 3.195 N/A THR 271.A N THR 198.A O no hydrogen 2.953 N/A TYR 272.A OH GLU 230.A OE1 no hydrogen 2.670 N/A TYR 272.A OH GLU 230.A OE2 no hydrogen 2.668 N/A ILE 273.A N ASN 196.A O no hydrogen 3.173 N/A